4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide

C13H20FN3O2S — CID 106083694

IUPAC4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide
SMILESCc1cccc(F)c1NS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C13H20FN3O2S/c1-10-3-2-4-12(14)13(10)16-20(18,19)17-7-5-11(9-15)6-8-17/h2-4,11,16H,5-9,15H2,1H3
InChIKeyKSEFPDUAODCHEO-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.46
Rot. Bonds4

About 4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide (PubChem CID 106083694) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide
PubChem CID106083694
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide
SMILESCc1cccc(F)c1NS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C13H20FN3O2S/c1-10-3-2-4-12(14)13(10)16-20(18,19)17-7-5-11(9-15)6-8-17/h2-4,11,16H,5-9,15H2,1H3
InChIKeyKSEFPDUAODCHEO-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708491
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)piperidine-1-sulfonamide
CID 106086848
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide
CID 106088800
[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963938
4-(aminomethyl)-N-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 106071212
4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide
CID 106037007
4-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 106069875
4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide
CID 106087973
2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide
CID 106089660
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106082713
4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide
CID 106062105

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide (CID 106083694) is 4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide is Cc1cccc(F)c1NS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide?
The InChIKey is KSEFPDUAODCHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-10-3-2-4-12(14)13(10)16-20(18,19)17-7-5-11(9-15)6-8-17/h2-4,11,16H,5-9,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106083694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).